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Atorvastatin hemicalcium trihydrate structure, CAS 344423-98-9

Atorvastatin hemicalcium trihydrate

CAS Number344423-98-9

Synonymsatorvastatin calcium trihydrate; Torvast; Atorvastatin Calcium Salt Trihydrate; Atorvastatin hemicalcium salt sesquihydrate; Lipitor; Sortis; Totalip

Molecular FormulaC66H74CaF2N4O13

Molecular Weight1209.39

Purity

Density

Boiling Point

Melting Point

Flash Point

AppearanceSolid;White to Almost white powder to crystal

EINECS

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Symbol

Signal Word

Cat. No.: 2A-3182796 Purity:
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Quality Control of [ 344423-98-9 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number344423-98-9
Catalog No.2A-3182796
Chinese Name阿托伐他汀钙三水合物
Synonymsatorvastatin calcium trihydrate; Torvast; Atorvastatin Calcium Salt Trihydrate; Atorvastatin hemicalcium salt sesquihydrate; Lipitor; Sortis; Totalip
Molecular FormulaC66H74CaF2N4O13
Molecular Weight1209.39
AppearanceSolid;White to Almost white powder to crystal
Water SolubilityVery slightly soluble in water, slightly soluble i
Storage Conditionroom temperature, dry
PubChem ID7849317
SMILESCC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)[O-].O.O.O.[Ca+2].[Ca+2]
InChIInChI=1S/2C33H35FN2O5.Ca.3H2O/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/q;;+2;;;/p-2/t2*26-,27-;;;;/m11..../s1
InChI KeyKFKPPZBLMKKNCH-VYUHLITJSA-L
Transport InfoProduct name: Atorvastatin calcium trihydrate
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